4JJA
Crystal structure of a DUF1343 family protein (BF0379) from Bacteroides fragilis NCTC 9343 at 1.30 A resolution
Experimental procedure
Experimental method | SAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-17 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.655, 47.702, 59.732 |
Unit cell angles | 90.00, 98.57, 90.00 |
Refinement procedure
Resolution | 29.686 - 1.300 |
R-factor | 0.1206 |
Rwork | 0.119 |
R-free | 0.15100 |
Structure solution method | SAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.755 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.686 | 29.686 | 1.330 |
High resolution limit [Å] | 1.300 | 5.810 | 1.300 |
Rmerge | 0.068 | 0.491 | |
Total number of observations | 3233 | 14193 | |
Number of reflections | 75685 | ||
<I/σ(I)> | 7.5 | 9.7 | 1.5 |
Completeness [%] | 97.7 | 98.6 | 83.7 |
Redundancy | 3.6 | 3.5 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 1.0M lithium chloride, 20.0% polyethylene glycol 6000, 0.1M TRIS pH 8.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |